5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol

C16H16O4 — CID 102187430

IUPAC5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol
SMILESCC1(C)COC2(c3cccc4cc(O)ccc34)OOC12
InChIInChI=1S/C16H16O4/c1-15(2)9-18-16(14(15)19-20-16)13-5-3-4-10-8-11(17)6-7-12(10)13/h3-8,14,17H,9H2,1-2H3
InChIKeyFLGOBIOYOZWMTC-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.09
Rot. Bonds1

About 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol

5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol (PubChem CID 102187430) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol
PubChem CID102187430
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol
SMILESCC1(C)COC2(c3cccc4cc(O)ccc34)OOC12
InChIInChI=1S/C16H16O4/c1-15(2)9-18-16(14(15)19-20-16)13-5-3-4-10-8-11(17)6-7-12(10)13/h3-8,14,17H,9H2,1-2H3
InChIKeyFLGOBIOYOZWMTC-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol with MolForge

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Related Compounds

5-(1-aminocyclobutyl)naphthalen-2-ol
CID 105466837
1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
CID 105465874
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol
CID 157328248
5-(methylamino)naphthalen-2-ol
CID 74890550
5-methylsulfanylnaphthalen-2-ol
CID 130033798
5-propan-2-ylnaphthalen-2-ol
CID 19011144
(13S,14S)-3-hydroxy-13-methyl-15,16-dihydro-14H-cyclopenta[a]phenanthren-17-one
CID 42626552
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
17-ethenyl-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-3-ol
CID 21200378
tricyclo[9.4.0.02,4]pentadeca-1(11),2(4),5,7,9,12,14-heptaen-13-ol
CID 21410139
(2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol
CID 155046793
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol?
The IUPAC name of 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol (CID 102187430) is 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol.
What is the SMILES notation for 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol?
The canonical SMILES for 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol is CC1(C)COC2(c3cccc4cc(O)ccc34)OOC12.
What is the InChIKey of 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol?
The InChIKey is FLGOBIOYOZWMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-15(2)9-18-16(14(15)19-20-16)13-5-3-4-10-8-11(17)6-7-12(10)13/h3-8,14,17H,9H2,1-2H3.
What are the key properties of 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol?
5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol has a molecular weight of 272.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol is sourced from PubChem (CID 102187430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).